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2005
Niobium
I 5100
23- 021
Synthesis, Structural Characterization, and Molecular Modeling of Dodecaniobate Keggin Chain Materials. — The four isostructural Keggin chain compounds
(IV) and (VII) crystallize in the tetragonal space group I4m2 with Z = 2 (powder XRD).
The structure contains chains of [MNb12 O40]16- Keggin ions linked by [Ti2O2]4+ or
[Nb2O2]6+ bridges. The location of the charge-balancing sodium atoms and the water
molecules is further investigated by molecular simulations. In addition, the compounds
are characterized by IR and solid-state 1H, 29Si, and 23Na MAS NMR spectroscopy. —
(BONHOMME, F.; LARENTZOS, J. P.; ALAM, T. M.; MAGINN, E. J.; NYMAN*,
M.; Inorg. Chem. 44 (2005) 6, 1774-1785; Sandia Natl. Lab., Dep. Geochem.,
Albuquerque, NM 87185, USA; Eng.) — Schramke
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